› 7aqt

Solution NMR

NMR2 structure of BRD4-BD2 in complex with iBET-762

Released:
DOI: 10.2210/pdb7aqt/pdb
PDB entry 7aqt coloured by chain, ensemble of 10 models, front view.
PDB entry 7aqt coloured by chain, ensemble of 10 models, side view.
PDB entry 7aqt coloured by chain, ensemble of 10 models, top view.
Source organism: Homo sapiens
Primary publication:
NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
Torres F, Walser R, Kaderli J, Rossi E, Bobby R, Packer MJ, Sarda S, Walker G, Hitchin JR, Milbradt AG, Orts J
OpenAccess logo J Med Chem 65 5565-5574 (2022)
PMID: 35357834

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130112 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 4 Chain: A
Molecule details ›
Chain: A
Length: 109 amino acids
Theoretical weight: 12.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 351-459; Coverage: 8%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

1 bound ligand:
Ligand EAM 1 x EAM
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 1%
Refinement method: NMR2
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

A Benchmark Study of Protein-Fragment Complex Structure Calculations with NMR2.
Torres et al. (2023)
1 more

1 mention without citation

NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
Torres et al. (2022)